ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol

C11H27NO — CID 171660809

IUPACethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCC.CC(C)NC(CCO)C(C)C
InChIInChI=1S/C9H21NO.C2H6/c1-7(2)9(5-6-11)10-8(3)4;1-2/h7-11H,5-6H2,1-4H3;1-2H3
InChIKeyZVIWFQCVFGSPOU-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.42
Rot. Bonds5

About ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol

ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol (PubChem CID 171660809) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol
PubChem CID171660809
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol
SMILESCC.CC(C)NC(CCO)C(C)C
InChIInChI=1S/C9H21NO.C2H6/c1-7(2)9(5-6-11)10-8(3)4;1-2/h7-11H,5-6H2,1-4H3;1-2H3
InChIKeyZVIWFQCVFGSPOU-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol (CID 171660809) is ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol is CC.CC(C)NC(CCO)C(C)C.
What is the InChIKey of ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol?
The InChIKey is ZVIWFQCVFGSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C2H6/c1-7(2)9(5-6-11)10-8(3)4;1-2/h7-11H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol?
ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol has a molecular weight of 189.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 171660809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).